Geometry & MOs

Info

ID:

334907

PubChem CID:

127253713

Reduced:

ClN2O6C23H29 (1)

Stoich.:

AB2C6D23E29 (1)

Weight, g/mol:

603.165995

ΔHf, kcal/mol:

-215.18

Dipole, Da:

3.75

IP(EA), eV:

 -8.84(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (6S,7R)-7'-chloro-4',6'-dimethoxy-4-(4-methoxynaphthalen-1-yl)-2,7-dimethyl-3',5-dioxospiro[1,4,7,8-tetrahydroquinoline-6,2'-1-benzofuran]-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCCN4CCOCC4

DOS

IR

Vibrations